#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m2d s LYS 4 N 0.00 1.30 -0.19 -4.13 1.02 -0.57 -4.60 119.74 112.56 1m2d s LYS 4 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1m2d s LYS 4 Cb 0.00 -1.39 0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1m2d s LYS 4 CO 0.00 0.35 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.07 1m2d s HIS 5 N -0.80 2.57 -0.23 3.18 2.46 0.19 -1.82 115.29 120.85 1m2d s HIS 5 Ca 0.06 -1.64 -0.07 0.00 0.47 0.00 0.00 55.06 53.88 1m2d s HIS 5 Cb -0.09 -1.74 -0.03 0.00 -0.13 0.00 0.00 32.58 30.59 1m2d s HIS 5 CO 0.02 -0.76 0.07 0.08 -2.47 0.00 0.00 174.74 171.67 1m2d s VAL 6 N 1.35 4.51 -0.20 0.89 1.01 0.20 -0.76 120.40 127.40 1m2d s VAL 6 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1m2d s VAL 6 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1m2d s VAL 6 CO -0.09 0.38 -0.02 -0.36 0.00 0.00 0.00 175.10 175.00 1m2d s PHE 7 N 1.17 3.00 -0.21 5.22 0.40 0.24 -0.52 117.98 127.29 1m2d s PHE 7 Ca 0.05 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1m2d s PHE 7 Cb -0.14 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1m2d s PHE 7 CO 0.03 -0.34 -0.11 0.08 0.70 0.00 0.00 175.22 175.58 1m2d s VAL 8 N 1.11 2.71 -0.01 -0.44 1.01 -0.35 -0.76 120.40 123.66 1m2d s VAL 8 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1m2d s VAL 8 Cb -0.14 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1m2d s VAL 8 CO 0.01 0.43 1.55 0.00 0.00 0.00 0.00 175.10 177.09 1m2d n VAL 10 N 5.01 1.31 -1.72 0.00 0.24 0.08 -4.61 118.33 118.65 1m2d n VAL 10 Ca 0.15 -1.29 -0.43 0.00 -2.04 0.00 0.00 64.34 60.73 1m2d n VAL 10 Cb 0.43 0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 33.07 1m2d n VAL 10 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1m2d n GLN 11 N -0.21 2.45 -4.25 7.34 -0.06 -1.20 -4.51 117.38 116.94 1m2d n GLN 11 Ca 0.10 0.87 -0.23 0.00 -2.00 0.00 0.00 57.00 55.74 1m2d n GLN 11 Cb 0.47 -2.61 -0.07 0.00 -4.06 0.00 0.00 30.24 23.97 1m2d n GLN 11 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1m2d s ASP 12 N 0.45 4.67 0.03 1.69 -1.08 -1.26 -1.19 116.67 119.99 1m2d s ASP 12 Ca 0.66 -0.62 -0.00 0.00 -0.52 0.00 0.00 52.55 52.07 1m2d s ASP 12 Cb -0.56 -0.89 -0.03 0.00 -1.46 0.00 0.00 42.92 39.99 1m2d s ASP 12 CO 0.48 -0.04 -0.03 -0.13 0.52 0.00 0.00 175.17 175.97 1m2d s ARG 13 N -3.72 0.45 0.83 4.34 1.81 -1.26 -5.03 118.95 116.38 1m2d s ARG 13 Ca 0.32 -0.89 -0.12 0.00 -1.72 0.00 0.00 55.73 53.33 1m2d s ARG 13 Cb -0.06 0.15 0.10 0.00 -0.45 0.00 0.00 34.95 34.69 1m2d s ARG 13 CO 0.21 -0.08 1.17 -2.14 -0.68 0.00 0.00 175.30 173.78 1m2d s PRO 14 N -2.57 1.55 0.54 3.54 0.02 -1.26 -4.90 135.00 131.91 1m2d s PRO 14 Ca -0.06 1.60 0.23 0.00 0.02 0.00 0.00 61.00 62.79 1m2d s PRO 14 Cb -0.02 -1.78 1.48 0.00 0.02 0.00 0.00 34.50 34.20 1m2d s PRO 14 CO -0.05 -2.25 2.16 -1.35 -0.33 0.00 0.00 177.00 175.18 1m2d h PRO 15 N -1.22 0.00 -0.03 5.54 0.11 -2.01 -1.88 132.00 132.51 1m2d h PRO 15 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1m2d h PRO 15 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1m2d h PRO 15 CO 0.45 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 1m2d n GLY 16 N -1.26 -0.64 3.67 -0.55 0.00 -1.26 -4.85 105.19 100.30 1m2d n GLY 16 Ca -0.03 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1m2d n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1m2d s HIS 17 N -1.96 2.29 0.24 1.61 5.04 -0.71 -4.88 115.29 116.91 1m2d s HIS 17 Ca 0.36 0.41 -0.05 0.00 -1.54 0.00 0.00 55.06 54.24 1m2d s HIS 17 Cb 0.18 -3.83 0.38 0.00 0.04 0.00 0.00 32.58 29.35 1m2d s HIS 17 CO 0.29 -3.35 1.78 -1.35 -2.34 0.00 0.00 174.74 169.76 1m2d h PRO 18 N 8.93 0.61 -0.00 2.88 0.11 -1.91 -1.36 132.00 141.25 1m2d h PRO 18 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1m2d h PRO 18 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1m2d h PRO 18 CO 0.94 0.40 -0.03 1.04 -0.21 0.00 0.00 178.00 180.14 1m2d n GLN 19 N -4.86 0.66 0.00 1.05 3.00 -1.26 -5.02 117.38 110.96 1m2d n GLN 19 Ca 0.13 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1m2d n GLN 19 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.05 1m2d n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m2d n GLY 20 N 1.21 0.61 3.38 1.08 0.00 -0.52 -4.08 105.19 106.88 1m2d n GLY 20 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1m2d n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m2d s SER 21 N -4.00 -0.33 0.24 1.61 1.04 -1.26 -4.80 113.70 106.19 1m2d s SER 21 Ca 0.00 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1m2d s SER 21 Cb 0.00 0.53 0.27 0.00 0.10 0.00 0.00 66.02 66.92 1m2d s SER 21 CO 0.00 -0.92 1.65 0.00 0.98 0.00 0.00 173.24 174.95 1m2d h ALA 23 N 1.16 1.06 0.00 0.00 0.00 -1.38 -0.19 119.26 119.91 1m2d h ALA 23 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1m2d h ALA 23 Cb 0.76 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1m2d h ALA 23 CO 0.06 0.62 -0.08 1.96 0.00 0.00 0.00 179.25 181.81 1m2d h GLN 24 N 1.17 0.00 -0.62 0.00 4.20 -1.75 -2.32 115.11 115.78 1m2d h GLN 24 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1m2d h GLN 24 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1m2d h GLN 24 CO -0.04 0.08 0.00 0.54 -0.67 0.00 0.00 178.83 178.74 1m2d n ARG 25 N -3.93 2.72 -0.10 1.46 1.74 -0.50 -4.92 116.66 113.13 1m2d n ARG 25 Ca -0.02 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1m2d n ARG 25 Cb 0.17 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1m2d n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m2d n GLY 26 N 1.30 0.94 0.21 -0.13 0.00 -0.87 -4.55 105.19 102.10 1m2d n GLY 26 Ca 0.21 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1m2d n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1m2d h SER 27 N 0.00 0.00 0.56 1.61 4.64 -1.18 -2.45 113.55 116.73 1m2d h SER 27 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1m2d h SER 27 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1m2d h SER 27 CO 0.00 0.15 -0.55 0.03 -0.87 0.00 0.00 176.83 175.60 1m2d h ARG 28 N 0.00 0.00 -0.04 4.77 3.08 -1.81 -0.52 114.38 119.86 1m2d h ARG 28 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1m2d h ARG 28 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1m2d h ARG 28 CO 0.02 0.55 -0.49 0.93 -1.07 0.00 0.00 179.97 179.91 1m2d h GLU 29 N 0.00 0.11 0.09 0.04 3.07 -1.83 -1.44 114.58 114.63 1m2d h GLU 29 Ca -0.01 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1m2d h GLU 29 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1m2d h GLU 29 CO 0.07 0.58 -0.05 0.28 -1.40 0.00 0.00 179.01 178.49 1m2d h VAL 30 N 0.09 0.96 -0.14 3.13 2.07 -1.14 -1.02 116.25 120.19 1m2d h VAL 30 Ca 0.00 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1m2d h VAL 30 Cb 0.90 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1m2d h VAL 30 CO 0.07 0.05 0.01 0.15 0.02 0.00 0.00 177.57 177.87 1m2d h PHE 31 N -0.21 0.01 -0.59 1.57 3.57 -0.98 -1.02 116.94 119.29 1m2d h PHE 31 Ca -0.01 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1m2d h PHE 31 Cb 0.17 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1m2d h PHE 31 CO -0.04 -0.00 0.30 0.37 -2.23 0.00 0.00 178.31 176.70 1m2d h GLN 32 N 0.06 0.54 -0.71 1.11 4.15 -1.22 -0.80 115.11 118.24 1m2d h GLN 32 Ca 0.06 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 1m2d h GLN 32 Cb 0.07 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1m2d h GLN 32 CO -0.10 0.35 0.20 0.00 -1.93 0.00 0.00 178.83 177.35 1m2d h ALA 33 N 1.34 0.93 -0.21 3.38 0.00 -0.60 0.20 119.26 124.29 1m2d h ALA 33 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1m2d h ALA 33 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1m2d h ALA 33 CO -0.20 0.64 0.10 0.74 0.00 0.00 0.00 179.25 180.53 1m2d h PHE 34 N 1.06 0.30 -0.67 0.00 -1.00 -0.83 -1.26 116.94 114.54 1m2d h PHE 34 Ca 0.23 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.02 1m2d h PHE 34 Cb 0.34 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 1m2d h PHE 34 CO 0.03 0.30 0.42 0.52 -1.61 0.00 0.00 178.31 177.96 1m2d h MET 35 N 0.21 0.79 -0.50 1.51 2.86 -0.84 -0.42 114.93 118.54 1m2d h MET 35 Ca 0.07 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1m2d h MET 35 Cb 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1m2d h MET 35 CO -0.01 0.52 0.15 0.93 1.06 0.00 0.00 176.91 179.56 1m2d h GLU 36 N 0.81 0.74 0.16 1.72 5.08 -0.40 -2.79 114.58 119.90 1m2d h GLU 36 Ca 0.27 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1m2d h GLU 36 Cb 0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1m2d h GLU 36 CO -0.11 0.65 -0.08 0.87 -1.00 0.00 0.00 179.01 179.34 1m2d h LYS 37 N 0.73 -0.21 -0.31 2.33 1.79 -0.69 -2.92 116.57 117.29 1m2d h LYS 37 Ca 0.17 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1m2d h LYS 37 Cb 0.22 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1m2d h LYS 37 CO -0.01 0.20 0.21 0.82 -1.08 0.00 0.00 179.45 179.59 1m2d h ILE 38 N -0.71 1.03 0.00 1.86 1.08 -1.05 -2.17 117.51 117.55 1m2d h ILE 38 Ca -0.02 -0.11 -0.20 0.00 -0.39 0.00 0.00 64.86 64.14 1m2d h ILE 38 Cb 0.51 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1m2d h ILE 38 CO 0.04 0.06 -1.13 -0.61 -0.69 0.00 0.00 178.15 175.81 1m2d h GLN 39 N 0.33 0.00 0.00 2.37 5.75 -1.58 -2.88 115.11 119.10 1m2d h GLN 39 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1m2d h GLN 39 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1m2d h GLN 39 CO -0.03 0.89 0.00 0.25 -2.65 0.00 0.00 178.83 177.29 1m2d n THR 40 N -4.46 0.00 -3.99 2.39 -2.24 -0.84 -3.91 114.28 101.22 1m2d n THR 40 Ca -0.29 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 1m2d n THR 40 Cb 0.63 -0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 67.90 1m2d n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1m2d s ASP 41 N -1.72 4.80 0.22 3.42 -1.08 -1.04 -5.03 116.67 116.24 1m2d s ASP 41 Ca 0.00 -2.20 -0.07 0.00 -0.52 0.00 0.00 52.55 49.76 1m2d s ASP 41 Cb 0.00 -1.65 0.34 0.00 -1.46 0.00 0.00 42.92 40.15 1m2d s ASP 41 CO 0.00 -0.39 1.76 -0.65 0.52 0.00 0.00 175.17 176.41 1m2d h PRO 42 N 7.59 0.52 -0.74 4.34 0.11 -1.84 -0.47 132.00 141.51 1m2d h PRO 42 Ca -0.05 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1m2d h PRO 42 Cb 1.02 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 1m2d h PRO 42 CO 0.55 0.34 0.28 0.37 -0.21 0.00 0.00 178.00 179.33 1m2d h GLN 43 N 0.53 1.10 -0.34 1.05 4.15 -1.93 -2.38 115.11 117.30 1m2d h GLN 43 Ca 0.35 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.44 1m2d h GLN 43 Cb 0.41 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1m2d h GLN 43 CO -0.30 0.90 -0.29 -0.07 -1.93 0.00 0.00 178.83 177.15 1m2d h LEU 44 N 1.08 0.84 -1.61 -2.39 3.38 -1.60 -3.28 115.31 111.73 1m2d h LEU 44 Ca 0.25 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1m2d h LEU 44 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1m2d h LEU 44 CO -0.02 1.12 0.31 0.15 0.09 0.00 0.00 178.44 180.09 1m2d h PHE 45 N 0.57 0.49 -0.54 1.13 3.57 -0.60 -1.20 116.94 120.36 1m2d h PHE 45 Ca 0.06 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1m2d h PHE 45 Cb 0.86 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1m2d h PHE 45 CO 0.07 0.28 0.00 -0.12 -2.23 0.00 0.00 178.31 176.31 1m2d n MET 46 N -4.48 2.30 0.00 1.11 1.56 -1.07 -4.19 117.12 112.35 1m2d n MET 46 Ca 0.05 -2.02 0.00 0.00 -0.27 0.00 0.00 57.70 55.46 1m2d n MET 46 Cb 0.16 -1.44 0.00 0.00 2.15 0.00 0.00 33.22 34.08 1m2d n MET 46 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1m2d n THR 47 N 1.15 0.11 -4.03 1.12 5.66 -0.55 -5.00 114.28 112.74 1m2d n THR 47 Ca 0.19 -0.14 -0.15 0.00 -3.05 0.00 0.00 64.05 60.90 1m2d n THR 47 Cb 0.48 1.22 -0.15 0.00 -1.55 0.00 0.00 70.33 70.33 1m2d n THR 47 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1m2d s THR 48 N -0.11 0.26 -0.04 1.09 2.01 -0.65 -1.52 115.64 116.69 1m2d s THR 48 Ca 0.00 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1m2d s THR 48 Cb 0.00 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1m2d s THR 48 CO 0.00 0.10 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.11 1m2d s VAL 49 N 0.23 1.86 -0.19 3.82 1.01 -0.75 -4.80 120.40 121.57 1m2d s VAL 49 Ca -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1m2d s VAL 49 Cb -0.05 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1m2d s VAL 49 CO -0.01 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.86 1m2d s ILE 50 N -0.33 2.66 -0.09 2.22 -1.09 -1.26 -0.63 121.20 122.68 1m2d s ILE 50 Ca 0.03 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1m2d s ILE 50 Cb -0.11 -2.16 0.01 0.00 -1.58 0.00 0.00 42.46 38.62 1m2d s ILE 50 CO 0.01 0.49 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.16 1m2d s THR 51 N 1.30 1.49 0.29 2.92 2.01 0.32 -4.99 115.64 118.98 1m2d s THR 51 Ca 0.04 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 1m2d s THR 51 Cb -0.14 -1.34 -0.09 0.00 0.01 0.00 0.00 72.50 70.94 1m2d s THR 51 CO -0.07 0.44 0.84 -2.16 -0.69 0.00 0.00 174.62 172.97 1m2d s PRO 52 N 0.70 4.38 0.21 4.92 0.04 -1.26 -1.22 135.00 142.78 1m2d s PRO 52 Ca -0.13 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.01 1m2d s PRO 52 Cb -0.16 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1m2d s PRO 52 CO 0.03 0.29 0.03 0.95 0.04 0.00 0.00 177.00 178.35 1m2d s THR 53 N -1.65 0.68 0.68 1.26 -4.23 -0.13 -4.89 115.64 107.37 1m2d s THR 53 Ca 0.48 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.88 1m2d s THR 53 Cb -0.16 -2.32 0.16 0.00 1.34 0.00 0.00 72.50 71.51 1m2d s THR 53 CO 0.21 -0.30 0.93 0.61 -0.54 0.00 0.00 174.62 175.53 1m2d n GLY 54 N -0.34 -1.40 3.66 3.99 0.00 -1.26 -0.74 105.19 109.10 1m2d n GLY 54 Ca -0.04 -1.70 -0.45 0.00 0.00 0.00 0.00 46.02 43.83 1m2d n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m2d n MET 56 N 2.20 3.24 -2.33 0.00 2.81 -1.26 -4.98 117.12 116.79 1m2d n MET 56 Ca 0.13 -2.94 -0.11 0.00 -1.81 0.00 0.00 57.70 52.97 1m2d n MET 56 Cb 0.30 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1m2d n MET 56 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1m2d n ASN 57 N -0.34 -3.69 -2.52 7.83 5.03 -1.26 -4.89 115.26 115.43 1m2d n ASN 57 Ca 0.24 -0.05 0.01 0.00 0.87 0.00 0.00 54.58 55.65 1m2d n ASN 57 Cb 0.99 -2.83 0.04 0.00 -1.02 0.00 0.00 39.78 36.96 1m2d n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1m2d n ALA 58 N -1.86 2.56 -0.22 5.41 0.00 -1.26 -4.99 120.51 120.15 1m2d n ALA 58 Ca -0.11 -2.67 -0.00 0.00 0.00 0.00 0.00 53.44 50.65 1m2d n ALA 58 Cb 0.59 -0.84 0.22 0.00 0.00 0.00 0.00 19.45 19.42 1m2d n ALA 58 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1m2d h SER 59 N 2.23 0.89 0.47 0.00 0.02 -1.90 -0.47 113.55 114.79 1m2d h SER 59 Ca -0.16 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1m2d h SER 59 Cb 1.42 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1m2d h SER 59 CO 0.17 0.68 0.00 0.23 -1.14 0.00 0.00 176.83 176.77 1m2d n MET 60 N -4.39 0.14 -0.50 3.45 2.81 -1.26 -1.51 117.12 115.86 1m2d n MET 60 Ca 0.08 0.45 0.08 0.00 -1.81 0.00 0.00 57.70 56.51 1m2d n MET 60 Cb 0.06 -1.81 0.30 0.00 -0.71 0.00 0.00 33.22 31.06 1m2d n MET 60 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1m2d n MET 61 N -2.08 3.45 -1.88 0.03 2.81 -0.19 -5.03 117.12 114.22 1m2d n MET 61 Ca 0.01 -2.73 -0.29 0.00 -1.81 0.00 0.00 57.70 52.88 1m2d n MET 61 Cb 0.16 -1.78 0.13 0.00 -0.71 0.00 0.00 33.22 31.02 1m2d n MET 61 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1m2d s GLY 62 N -1.16 1.66 0.22 3.03 0.00 -0.57 -0.46 107.32 110.03 1m2d s GLY 62 Ca 0.44 -0.85 -0.32 0.00 0.00 0.00 0.00 44.72 43.99 1m2d s GLY 62 CO 0.19 -0.25 1.67 -1.05 0.00 0.00 0.00 173.10 173.65 1m2d n PRO 63 N -3.53 2.63 -3.35 2.90 -0.02 -1.26 -3.42 135.00 128.95 1m2d n PRO 63 Ca 0.11 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 62.15 1m2d n PRO 63 Cb 0.60 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 1m2d n PRO 63 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m2d s VAL 64 N 0.88 5.19 -0.06 -1.45 1.01 -1.26 -2.20 120.40 122.50 1m2d s VAL 64 Ca 0.74 0.83 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1m2d s VAL 64 Cb -0.54 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1m2d s VAL 64 CO 0.37 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.97 1m2d s VAL 65 N 1.01 0.88 -0.06 2.92 1.01 -0.70 -1.93 120.40 123.52 1m2d s VAL 65 Ca 0.22 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1m2d s VAL 65 Cb -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1m2d s VAL 65 CO 0.09 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 1m2d s VAL 66 N 0.85 1.85 -0.22 2.92 1.01 0.06 -0.16 120.40 126.71 1m2d s VAL 66 Ca -0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1m2d s VAL 66 Cb -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1m2d s VAL 66 CO 0.01 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 1m2d s VAL 67 N -0.02 3.09 0.26 2.92 1.01 -0.02 -0.59 120.40 127.05 1m2d s VAL 67 Ca -0.06 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1m2d s VAL 67 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1m2d s VAL 67 CO 0.04 0.42 -0.00 -0.31 0.00 0.00 0.00 175.10 175.25 1m2d s TYR 68 N 1.43 2.71 -1.91 5.22 1.51 0.06 -0.25 117.35 126.11 1m2d s TYR 68 Ca 0.05 -0.21 0.25 0.00 -1.01 0.00 0.00 57.07 56.14 1m2d s TYR 68 Cb -0.14 -1.21 1.44 0.00 -0.11 0.00 0.00 41.96 41.93 1m2d s TYR 68 CO -0.05 0.61 1.83 -0.35 -1.11 0.00 0.00 175.55 176.48 1m2d n PRO 69 N -0.81 0.71 -0.23 -1.71 -0.04 -1.26 -0.64 135.00 131.01 1m2d n PRO 69 Ca -0.07 0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.55 1m2d n PRO 69 Cb 0.59 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.99 1m2d n PRO 69 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1m2d h ASP 70 N 0.00 0.52 -0.37 3.54 5.19 -1.95 -3.46 116.42 119.89 1m2d h ASP 70 Ca 0.00 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1m2d h ASP 70 Cb 0.03 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 1m2d h ASP 70 CO 0.00 0.25 -0.07 0.61 -3.12 0.00 0.00 179.24 176.91 1m2d n GLY 71 N -1.48 0.29 3.64 2.75 0.00 0.65 -5.03 105.19 106.01 1m2d n GLY 71 Ca 0.17 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1m2d n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m2d s VAL 72 N -2.13 5.08 -0.24 1.61 1.01 -0.82 -4.26 120.40 120.64 1m2d s VAL 72 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 1m2d s VAL 72 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1m2d s VAL 72 CO 0.00 0.13 0.12 0.26 0.00 0.00 0.00 175.10 175.61 1m2d s TRP 73 N 1.97 3.22 0.02 5.22 0.52 0.10 -0.84 118.94 129.15 1m2d s TRP 73 Ca 0.23 0.01 -0.00 0.00 0.02 0.00 0.00 56.10 56.36 1m2d s TRP 73 Cb -0.15 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1m2d s TRP 73 CO 0.09 -0.06 0.10 0.71 0.02 0.00 0.00 176.95 177.81 1m2d s TYR 74 N 1.18 3.32 0.27 -1.98 1.51 0.78 -0.21 117.35 122.23 1m2d s TYR 74 Ca 0.06 0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.39 1m2d s TYR 74 Cb -0.14 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 39.92 1m2d s TYR 74 CO 0.05 0.56 -0.05 0.20 -1.11 0.00 0.00 175.55 175.20 1m2d s GLY 75 N -1.95 1.78 -1.74 0.71 0.00 -0.22 -1.72 107.32 104.19 1m2d s GLY 75 Ca 0.26 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1m2d s GLY 75 CO 0.17 -1.81 0.00 -1.06 0.00 0.00 0.00 173.10 170.40 1m2d n GLN 76 N -0.56 -1.73 -2.34 2.90 6.02 0.39 -4.81 117.38 117.25 1m2d n GLN 76 Ca -0.05 0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 1m2d n GLN 76 Cb 0.63 -5.63 -0.03 0.00 1.02 0.00 0.00 30.24 26.23 1m2d n GLN 76 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1m2d s VAL 77 N -2.99 3.76 0.15 5.09 1.01 -1.01 -4.74 120.40 121.68 1m2d s VAL 77 Ca 0.00 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.30 1m2d s VAL 77 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1m2d s VAL 77 CO 0.00 0.11 0.24 -0.54 0.00 0.00 0.00 175.10 174.92 1m2d s LYS 78 N 0.90 3.28 0.42 2.72 1.02 -1.26 -4.32 119.74 122.51 1m2d s LYS 78 Ca 0.60 -0.68 0.16 0.00 0.02 0.00 0.00 55.97 56.07 1m2d s LYS 78 Cb -0.32 -2.87 1.05 0.00 -0.52 0.00 0.00 37.83 35.16 1m2d s LYS 78 CO 0.30 0.51 1.89 -1.35 -0.92 0.00 0.00 175.35 175.78 1m2d h PRO 79 N 2.21 0.42 0.00 -1.68 0.11 -1.86 -0.01 132.00 131.19 1m2d h PRO 79 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1m2d h PRO 79 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1m2d h PRO 79 CO 0.67 0.28 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 1m2d n GLU 80 N -4.50 0.14 0.02 1.05 4.71 -1.26 -1.96 120.64 118.84 1m2d n GLU 80 Ca 0.17 0.44 0.12 0.00 -0.01 0.00 0.00 57.16 57.88 1m2d n GLU 80 Cb 0.59 -1.81 0.15 0.00 -1.01 0.00 0.00 31.44 29.36 1m2d n GLU 80 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1m2d n ASP 81 N -2.09 0.61 -0.28 1.62 8.00 -0.02 -4.39 116.55 120.00 1m2d n ASP 81 Ca 0.01 -0.21 -0.04 0.00 0.71 0.00 0.00 54.79 55.26 1m2d n ASP 81 Cb 0.17 0.43 0.10 0.00 -0.02 0.00 0.00 41.12 41.79 1m2d n ASP 81 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1m2d h VAL 82 N 0.00 1.25 -0.75 2.53 2.07 -1.42 -2.09 116.25 117.84 1m2d h VAL 82 Ca 0.00 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1m2d h VAL 82 Cb 0.61 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1m2d h VAL 82 CO 0.00 0.31 0.50 0.44 0.02 0.00 0.00 177.57 178.84 1m2d h ASP 83 N 1.15 0.85 -0.54 0.57 3.32 -1.78 0.07 116.42 120.07 1m2d h ASP 83 Ca 0.27 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1m2d h ASP 83 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1m2d h ASP 83 CO -0.03 0.61 0.12 -0.08 -1.72 0.00 0.00 179.24 178.14 1m2d h GLU 84 N 1.01 0.87 -0.56 3.56 4.81 -1.70 0.30 114.58 122.86 1m2d h GLU 84 Ca 0.28 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1m2d h GLU 84 Cb -0.10 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1m2d h GLU 84 CO -0.07 0.83 0.23 0.82 -0.73 0.00 0.00 179.01 180.10 1m2d h ILE 85 N 0.77 1.22 0.14 2.32 2.04 -0.87 0.40 117.51 123.52 1m2d h ILE 85 Ca 0.17 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1m2d h ILE 85 Cb 0.36 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1m2d h ILE 85 CO 0.00 0.26 -0.09 0.58 0.00 0.00 0.00 178.15 178.90 1m2d h VAL 86 N 0.77 0.80 0.31 1.67 2.07 -0.69 -0.75 116.25 120.43 1m2d h VAL 86 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 1m2d h VAL 86 Cb 0.19 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1m2d h VAL 86 CO -0.02 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.09 1m2d h GLU 87 N -0.23 -0.41 0.06 1.57 4.39 -0.81 0.47 114.58 119.62 1m2d h GLU 87 Ca -0.01 0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.51 1m2d h GLU 87 Cb 0.20 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1m2d h GLU 87 CO 0.01 -0.10 -0.83 0.87 -1.16 0.00 0.00 179.01 177.80 1m2d h LYS 88 N -0.71 0.46 0.00 2.33 1.79 -0.99 -1.14 116.57 118.30 1m2d h LYS 88 Ca -0.04 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.86 1m2d h LYS 88 Cb 0.49 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1m2d h LYS 88 CO 0.07 1.21 -0.85 1.58 -1.08 0.00 0.00 179.45 180.38 1m2d n HIS 89 N -4.08 0.25 -0.00 -1.35 -0.00 -0.42 -0.82 115.22 108.80 1m2d n HIS 89 Ca -0.12 0.11 -0.05 0.00 0.46 0.00 0.00 57.72 58.12 1m2d n HIS 89 Cb 0.79 -0.57 0.17 0.00 -0.12 0.00 0.00 29.99 30.26 1m2d n HIS 89 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1m2d h LEU 90 N -0.99 0.54 0.03 0.27 3.38 -0.91 0.13 115.31 117.76 1m2d h LEU 90 Ca 0.00 -0.20 -0.37 0.00 0.09 0.00 0.00 57.88 57.40 1m2d h LEU 90 Cb 0.85 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1m2d h LEU 90 CO 0.00 0.80 -2.13 0.29 0.09 0.00 0.00 178.44 177.49 1m2d n LYS 91 N -4.10 0.65 0.10 1.13 5.02 0.13 -4.61 118.16 116.48 1m2d n LYS 91 Ca -0.01 0.29 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1m2d n LYS 91 Cb 0.43 -1.61 0.26 0.00 -0.02 0.00 0.00 35.03 34.09 1m2d n LYS 91 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1m2d h GLY 92 N 0.44 0.00 0.00 0.72 0.00 -1.06 -3.49 103.07 99.68 1m2d h GLY 92 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1m2d h GLY 92 CO -0.15 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.00 1m2d n GLY 93 N 1.30 0.63 3.12 4.60 0.00 0.03 -4.87 105.19 110.00 1m2d n GLY 93 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1m2d n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m2d s GLU 94 N -0.01 2.50 0.67 1.61 2.02 -0.00 -4.92 118.70 120.56 1m2d s GLU 94 Ca 0.00 -1.19 -0.17 0.00 0.02 0.00 0.00 54.97 53.63 1m2d s GLU 94 Cb 0.00 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 1m2d s GLU 94 CO 0.00 -0.49 1.05 -2.30 0.02 0.00 0.00 175.26 173.54 1m2d n PRO 95 N 4.54 0.77 -2.64 0.39 -0.02 -1.26 -2.77 135.00 134.00 1m2d n PRO 95 Ca -0.15 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1m2d n PRO 95 Cb 0.44 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1m2d n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m2d s VAL 96 N -1.62 4.08 0.28 -1.45 1.01 -1.26 -4.89 120.40 116.56 1m2d s VAL 96 Ca 0.77 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1m2d s VAL 96 Cb -0.37 -4.99 0.28 0.00 0.00 0.00 0.00 36.38 31.29 1m2d s VAL 96 CO 0.46 -1.84 1.80 -0.08 0.00 0.00 0.00 175.10 175.45 1m2d h GLU 97 N 9.61 0.82 0.00 2.72 4.81 -1.98 -1.98 114.58 128.58 1m2d h GLU 97 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1m2d h GLU 97 Cb 1.02 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1m2d h GLU 97 CO 1.35 0.55 -0.01 0.07 -0.73 0.00 0.00 179.01 180.24 1m2d h ARG 98 N 0.85 0.00 -0.02 1.92 0.11 -2.02 -2.38 114.38 112.84 1m2d h ARG 98 Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 1m2d h ARG 98 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1m2d h ARG 98 CO -0.32 0.01 -0.36 1.28 0.10 0.00 0.00 179.97 180.69 1m2d n LEU 99 N -3.13 1.98 -4.72 0.08 4.77 -0.75 -4.99 117.00 110.23 1m2d n LEU 99 Ca -0.01 -0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1m2d n LEU 99 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1m2d n LEU 99 CO 0.24 0.37 0.95 -0.69 -1.33 0.00 0.00 177.39 176.93 1m2d s VAL 100 N -2.15 3.58 -0.04 4.08 1.01 -0.90 -1.06 120.40 124.92 1m2d s VAL 100 Ca 0.17 1.19 0.14 0.00 0.00 0.00 0.00 61.98 63.49 1m2d s VAL 100 Cb 0.16 -3.76 -0.22 0.00 0.00 0.00 0.00 36.38 32.56 1m2d s VAL 100 CO 0.47 0.13 0.27 2.30 0.00 0.00 0.00 175.10 178.27 1m2d n ILE 101 N 3.42 0.16 -3.64 2.22 -5.35 0.71 -4.84 119.36 112.04 1m2d n ILE 101 Ca 0.08 -0.37 -0.15 0.00 -0.27 0.00 0.00 62.75 62.04 1m2d n ILE 101 Cb 0.44 0.03 -0.08 0.00 -1.74 0.00 0.00 39.64 38.29 1m2d n ILE 101 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1m2d s SER 102 N -3.84 -0.58 0.00 7.28 0.15 -1.08 -5.00 113.70 110.62 1m2d s SER 102 Ca -0.06 0.92 0.06 0.00 0.70 0.00 0.00 55.95 57.58 1m2d s SER 102 Cb 0.08 0.91 0.05 0.00 -1.71 0.00 0.00 66.02 65.35 1m2d s SER 102 CO 0.60 -0.36 0.69 0.29 1.20 0.00 0.00 173.24 175.65